BUPRENORPHINE

U.S. Department of Health & Human Services Divider Arrow

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C29H41NO4
Molecular Weight	467.6401
Optical Activity	UNSPECIFIED
Defined Stereocenters	7 / 7
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of BUPRENORPHINE

Structure Search

SMILES

[H][C@@]12OC3=C4C(C[C@H]5N(CC6CC6)CC[C@@]14[C@@]57CC[C@@]2(OC)[C@]([H])(C7)[C@](C)(O)C(C)(C)C)=CC=C3O

InChI

InChIKey=RMRJXGBAOAMLHD-IHFGGWKQSA-N

InChI=1S/C29H41NO4/c1-25(2,3)26(4,32)20-15-27-10-11-29(20,33-5)24-28(27)12-13-30(16-17-6-7-17)21(27)14-18-8-9-19(31)23(34-24)22(18)28/h8-9,17,20-21,24,31-32H,6-7,10-16H2,1-5H3/t20-,21-,24-,26+,27-,28+,29-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C29H41NO4
Molecular Weight	467.6401
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	7 / 7
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:13:47 UTC 2023` Edited by `admin` on `Fri Dec 15 15:13:47 UTC 2023`
Record UNII	40D3SCR4GZ
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

BUPRENORPHINE

Official Name

English

SUBLOCADE

Brand Name

English

BUPRENORPHINE [JAN]

Common Name

English

BUPRENORPHINE [EMA EPAR]

Common Name

English

SUBOXONE

Brand Name

English

Buprenorphine [WHO-DD]

Common Name

English

BUPRENORPHINE [VANDF]

Common Name

English

BUPRENORPHINE [ORANGE BOOK]

Common Name

English

BUPRENORPHINE [EP MONOGRAPH]

Common Name

English

buprenorphine [INN]

Common Name

English

BUPRENORPHIN

Common Name

English

BUPRENORPHINE [MI]

Common Name

English

BUPRENORPHINE [MART.]

Common Name

English

BUTRANS

Brand Name

English

PROBUPHINE

Brand Name

English

BRIXADI

Brand Name

English

BUPRENORPHINE [EP IMPURITY]

Common Name

English

ALKS-5461 COMPONENT BUPRENORPHINE

Code

English

TEMGESIC

Brand Name

English

Classification Tree Code System Code

WHO-VATC

QN07BC51

Created by admin on Fri Dec 15 15:13:47 UTC 2023 , Edited by admin on Fri Dec 15 15:13:47 UTC 2023

NDF-RT

N0000175685

Created by admin on Fri Dec 15 15:13:47 UTC 2023 , Edited by admin on Fri Dec 15 15:13:47 UTC 2023

WHO-ATC

N07BC01

Created by admin on Fri Dec 15 15:13:47 UTC 2023 , Edited by admin on Fri Dec 15 15:13:47 UTC 2023

LIVERTOX

NBK548871

Created by admin on Fri Dec 15 15:13:47 UTC 2023 , Edited by admin on Fri Dec 15 15:13:47 UTC 2023

NDF-RT

N0000175689

Created by admin on Fri Dec 15 15:13:47 UTC 2023 , Edited by admin on Fri Dec 15 15:13:47 UTC 2023

DEA NO.

9064

Created by admin on Fri Dec 15 15:13:47 UTC 2023 , Edited by admin on Fri Dec 15 15:13:47 UTC 2023

NCI_THESAURUS

C1506

Created by admin on Fri Dec 15 15:13:47 UTC 2023 , Edited by admin on Fri Dec 15 15:13:47 UTC 2023

WHO-ATC

N02AE01

Created by admin on Fri Dec 15 15:13:47 UTC 2023 , Edited by admin on Fri Dec 15 15:13:47 UTC 2023

NCI_THESAURUS

C67413

Created by admin on Fri Dec 15 15:13:47 UTC 2023 , Edited by admin on Fri Dec 15 15:13:47 UTC 2023

FDA ORPHAN DRUG

79093

Created by admin on Fri Dec 15 15:13:47 UTC 2023 , Edited by admin on Fri Dec 15 15:13:47 UTC 2023

EMA ASSESSMENT REPORTS

SUBOXONE (AUTHORIZED: OPIOID-RELATED DISEASES)

Created by admin on Fri Dec 15 15:13:47 UTC 2023 , Edited by admin on Fri Dec 15 15:13:47 UTC 2023

WHO-ATC

N07BC51

Created by admin on Fri Dec 15 15:13:47 UTC 2023 , Edited by admin on Fri Dec 15 15:13:47 UTC 2023

WHO-VATC

QN07BC01

Created by admin on Fri Dec 15 15:13:47 UTC 2023 , Edited by admin on Fri Dec 15 15:13:47 UTC 2023

WHO-VATC

QN02AE01

Created by admin on Fri Dec 15 15:13:47 UTC 2023 , Edited by admin on Fri Dec 15 15:13:47 UTC 2023

FDA ORPHAN DRUG

541116

Created by admin on Fri Dec 15 15:13:47 UTC 2023 , Edited by admin on Fri Dec 15 15:13:47 UTC 2023

Code System Code Type Description

PUBCHEM

644073

Created by admin on Fri Dec 15 15:13:47 UTC 2023 , Edited by admin on Fri Dec 15 15:13:47 UTC 2023

PRIMARY

IUPHAR

1670

Created by admin on Fri Dec 15 15:13:47 UTC 2023 , Edited by admin on Fri Dec 15 15:13:47 UTC 2023

PRIMARY

ChEMBL

CHEMBL511142

Created by admin on Fri Dec 15 15:13:47 UTC 2023 , Edited by admin on Fri Dec 15 15:13:47 UTC 2023

PRIMARY

ECHA (EC/EINECS)

257-950-6

Created by admin on Fri Dec 15 15:13:47 UTC 2023 , Edited by admin on Fri Dec 15 15:13:47 UTC 2023

PRIMARY

NCI_THESAURUS

C61656

Created by admin on Fri Dec 15 15:13:47 UTC 2023 , Edited by admin on Fri Dec 15 15:13:47 UTC 2023

PRIMARY

RXCUI

1819

Created by admin on Fri Dec 15 15:13:47 UTC 2023 , Edited by admin on Fri Dec 15 15:13:47 UTC 2023

PRIMARY

RxNorm

MESH

D002047

Created by admin on Fri Dec 15 15:13:47 UTC 2023 , Edited by admin on Fri Dec 15 15:13:47 UTC 2023

PRIMARY

MERCK INDEX

m2771

Created by admin on Fri Dec 15 15:13:47 UTC 2023 , Edited by admin on Fri Dec 15 15:13:47 UTC 2023

PRIMARY

Merck Index

INN

3403

Created by admin on Fri Dec 15 15:13:47 UTC 2023 , Edited by admin on Fri Dec 15 15:13:47 UTC 2023

PRIMARY

WIKIPEDIA

BUPRENORPHINE

Created by admin on Fri Dec 15 15:13:47 UTC 2023 , Edited by admin on Fri Dec 15 15:13:47 UTC 2023

PRIMARY

FDA UNII

40D3SCR4GZ

Created by admin on Fri Dec 15 15:13:47 UTC 2023 , Edited by admin on Fri Dec 15 15:13:47 UTC 2023

PRIMARY

DRUG CENTRAL

434

Created by admin on Fri Dec 15 15:13:47 UTC 2023 , Edited by admin on Fri Dec 15 15:13:47 UTC 2023

PRIMARY

LACTMED

Buprenorphine

Created by admin on Fri Dec 15 15:13:47 UTC 2023 , Edited by admin on Fri Dec 15 15:13:47 UTC 2023

PRIMARY

DAILYMED

40D3SCR4GZ

Created by admin on Fri Dec 15 15:13:47 UTC 2023 , Edited by admin on Fri Dec 15 15:13:47 UTC 2023

PRIMARY

CAS

52485-79-7

Created by admin on Fri Dec 15 15:13:47 UTC 2023 , Edited by admin on Fri Dec 15 15:13:47 UTC 2023

PRIMARY

EVMPD

SUB05985MIG

Created by admin on Fri Dec 15 15:13:47 UTC 2023 , Edited by admin on Fri Dec 15 15:13:47 UTC 2023

PRIMARY

CHEBI

3216

Created by admin on Fri Dec 15 15:13:47 UTC 2023 , Edited by admin on Fri Dec 15 15:13:47 UTC 2023

PRIMARY

EPA CompTox

DTXSID2022705

Created by admin on Fri Dec 15 15:13:47 UTC 2023 , Edited by admin on Fri Dec 15 15:13:47 UTC 2023

PRIMARY

SMS_ID

100000085263

Created by admin on Fri Dec 15 15:13:47 UTC 2023 , Edited by admin on Fri Dec 15 15:13:47 UTC 2023

PRIMARY

DRUG BANK

DB00921

Created by admin on Fri Dec 15 15:13:47 UTC 2023 , Edited by admin on Fri Dec 15 15:13:47 UTC 2023

PRIMARY

Related Record Type Details


					L0423Z5LDW

CYTOCHROME P450 2C8

METABOLIC ENZYME -> SUBSTRATE

Amount:


					56W8MW3EN1

BUPRENORPHINE HYDROCHLORIDE

SALT/SOLVATE -> PARENT

Amount:


					1PE72K8X46

MU-TYPE OPIOID RECEPTOR

TARGET->PARTIAL AGONIST

Comments:

PARTIAL AGONIST

Interaction Type:

BINDING

Qualification:

Ki

Amount:


					EV0PWK6TT6

DELTA-TYPE OPIOID RECEPTOR

TARGET -> AGONIST


					6D53G0FD0Z

PLASMA PROTEIN FRACTION (HUMAN)

BINDER->LIGAND

Interaction Type:

BINDING

Amount:


					PUO0521HZV

CYTOCHROME P450 3A4

METABOLIC ENZYME -> SUBSTRATE

Amount:


					5APY6NN4AW

CYTOCHROME P450 3A7

METABOLIC ENZYME -> SUBSTRATE

Amount:


					P7291Y4I7Z

BUPRENORPHINE 3-HEXANOATE

DERIVATIVE -> PARENT

Amount:


					EV0PWK6TT6

DELTA-TYPE OPIOID RECEPTOR

TARGET -> INHIBITOR

Interaction Type:

BINDING

Qualification:

Ki

Amount:


					2BJ58BX78W

KAPPA-TYPE OPIOID RECEPTOR

TARGET -> INHIBITOR

Interaction Type:

BINDING

Qualification:

Ki

Amount:


					805SU96HKF

CYTOCHROME P450 3A5

METABOLIC ENZYME -> SUBSTRATE

Amount:

Related Record Type Details


					L7FYM9GI97

BUPRENORPHINE 3-GLUCURONIDE

METABOLITE ACTIVE -> PARENT

Comments:

receptor binding and pharmacological activity

Amount:


					7E53B4O073

NORBUPRENORPHINE

METABOLITE ACTIVE -> PARENT

Qualification:

FECAL; URINE

Amount:


					YPZ2R0PR50

NORBUPRENORPHINE 3-GLUCURONIDE

METABOLITE -> PARENT

Comments:

receptor binding and pharmacological activity

Amount:

Related Record Type Details


					40D3SCR4GZ

ACTIVE MOIETY

Amount:

Name	Property Type	Amount	Referenced Substance	Defining	Parameters	References
Biological Half-life	PHARMACOKINETIC

Volume of Distribution	PHARMACOKINETIC